4-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1-methylpyrazole-5-carboxamide

C11H20N4O2 — CID 106179894

IUPAC4-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(N)c1C(=O)NC(C)(C)C(C)(C)O
InChIInChI=1S/C11H20N4O2/c1-10(2,11(3,4)17)14-9(16)8-7(12)6-13-15(8)5/h6,17H,12H2,1-5H3,(H,14,16)
InChIKeyCCTHXBVLZVOKOC-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.28
Rot. Bonds3

About 4-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1-methylpyrazole-5-carboxamide

4-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1-methylpyrazole-5-carboxamide (PubChem CID 106179894) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1-methylpyrazole-5-carboxamide
PubChem CID106179894
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name4-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(N)c1C(=O)NC(C)(C)C(C)(C)O
InChIInChI=1S/C11H20N4O2/c1-10(2,11(3,4)17)14-9(16)8-7(12)6-13-15(8)5/h6,17H,12H2,1-5H3,(H,14,16)
InChIKeyCCTHXBVLZVOKOC-UHFFFAOYSA-N
XLogP0.28
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1-methylpyrazole-5-carboxamide (CID 106179894) is 4-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1-methylpyrazole-5-carboxamide is Cn1ncc(N)c1C(=O)NC(C)(C)C(C)(C)O.
What is the InChIKey of 4-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1-methylpyrazole-5-carboxamide?
The InChIKey is CCTHXBVLZVOKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-10(2,11(3,4)17)14-9(16)8-7(12)6-13-15(8)5/h6,17H,12H2,1-5H3,(H,14,16).
What are the key properties of 4-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1-methylpyrazole-5-carboxamide?
4-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1-methylpyrazole-5-carboxamide has a molecular weight of 240.31 g/mol, XLogP of 0.28, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 106179894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).